N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide

C15H26N2O4S — CID 166259131

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide
SMILESCOC1CCCCC1S(=O)(=O)NC(C)Cc1c(C)noc1C
InChIInChI=1S/C15H26N2O4S/c1-10(9-13-11(2)16-21-12(13)3)17-22(18,19)15-8-6-5-7-14(15)20-4/h10,14-15,17H,5-9H2,1-4H3
InChIKeyKDHVKUFKPNUUQR-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide (PubChem CID 166259131) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide
PubChem CID166259131
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide
SMILESCOC1CCCCC1S(=O)(=O)NC(C)Cc1c(C)noc1C
InChIInChI=1S/C15H26N2O4S/c1-10(9-13-11(2)16-21-12(13)3)17-22(18,19)15-8-6-5-7-14(15)20-4/h10,14-15,17H,5-9H2,1-4H3
InChIKeyKDHVKUFKPNUUQR-UHFFFAOYSA-N
XLogP2.10
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1-[1-(methoxymethyl)cyclobutyl]methanesulfonamide
CID 126835318
1-(2,2-difluoro-1-methylcyclopropyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]methanesulfonamide
CID 126823133
3-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119797706
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-1,3-thiazole-2-sulfonamide
CID 126800198
N-cyclopentyl-1-[(2S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]azetidine-3-sulfonamide
CID 97348611
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125632
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2-methoxycyclohexyl)urea
CID 71973668
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
CID 84597373
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide (CID 166259131) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide is COC1CCCCC1S(=O)(=O)NC(C)Cc1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide?
The InChIKey is KDHVKUFKPNUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-10(9-13-11(2)16-21-12(13)3)17-22(18,19)15-8-6-5-7-14(15)20-4/h10,14-15,17H,5-9H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methoxycyclohexane-1-sulfonamide is sourced from PubChem (CID 166259131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).